5-methyl-2-(5-methylbenzotriazol-2-yl)phenol

C14H13N3O — CID 54003664

IUPAC5-methyl-2-(5-methylbenzotriazol-2-yl)phenol
SMILESCc1ccc(-n2nc3ccc(C)cc3n2)c(O)c1
InChIInChI=1S/C14H13N3O/c1-9-3-5-11-12(7-9)16-17(15-11)13-6-4-10(2)8-14(13)18/h3-8,18H,1-2H3
InChIKeyKNIWIYOFCLVXQZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.74
Rot. Bonds1

About 5-methyl-2-(5-methylbenzotriazol-2-yl)phenol

5-methyl-2-(5-methylbenzotriazol-2-yl)phenol (PubChem CID 54003664) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-methyl-2-(5-methylbenzotriazol-2-yl)phenol.

Molecular Properties

Compound Name5-methyl-2-(5-methylbenzotriazol-2-yl)phenol
PubChem CID54003664
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name5-methyl-2-(5-methylbenzotriazol-2-yl)phenol
SMILESCc1ccc(-n2nc3ccc(C)cc3n2)c(O)c1
InChIInChI=1S/C14H13N3O/c1-9-3-5-11-12(7-9)16-17(15-11)13-6-4-10(2)8-14(13)18/h3-8,18H,1-2H3
InChIKeyKNIWIYOFCLVXQZ-UHFFFAOYSA-N
XLogP2.74
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis[2,4-dihydroxy-5-(5-methylbenzotriazol-2-yl)phenyl]methanone
CID 102195712
2,5-dimethoxy-4-(5-methylbenzotriazol-2-yl)phenol
CID 21390054
acetylene;6-(5-methylbenzotriazol-2-yl)-1,3-benzodioxol-5-ol
CID 158259376
1-[3-hydroxy-4-(5-methylbenzotriazol-2-yl)phenyl]-3-[4-[[4-[[3-hydroxy-4-(5-methylbenzotriazol-2-yl)phenyl]carbamoylamino]phenyl]methyl]phenyl]urea
CID 139798230
2-(benzotriazol-2-yl)-4-methylphenol;ethane
CID 91212938
5-methyl-2-(3-methylphenyl)benzotriazole
CID 57226885
CID 18720529
CID 18720529
2-(benzotriazol-2-yl)-5-sulfanylphenol
CID 23459194
2-(2,5-dimethylpyrrol-1-yl)-5-methylphenol
CID 2125369
2-(benzotriazol-2-yl)phenol;ethane
CID 54470609
5-methyl-2-(4-methylimidazol-1-yl)phenol
CID 143857824
2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol
CID 18672844

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methylbenzotriazol-2-yl)phenol?
The IUPAC name of 5-methyl-2-(5-methylbenzotriazol-2-yl)phenol (CID 54003664) is 5-methyl-2-(5-methylbenzotriazol-2-yl)phenol.
What is the SMILES notation for 5-methyl-2-(5-methylbenzotriazol-2-yl)phenol?
The canonical SMILES for 5-methyl-2-(5-methylbenzotriazol-2-yl)phenol is Cc1ccc(-n2nc3ccc(C)cc3n2)c(O)c1.
What is the InChIKey of 5-methyl-2-(5-methylbenzotriazol-2-yl)phenol?
The InChIKey is KNIWIYOFCLVXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-3-5-11-12(7-9)16-17(15-11)13-6-4-10(2)8-14(13)18/h3-8,18H,1-2H3.
What are the key properties of 5-methyl-2-(5-methylbenzotriazol-2-yl)phenol?
5-methyl-2-(5-methylbenzotriazol-2-yl)phenol has a molecular weight of 239.28 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-methylbenzotriazol-2-yl)phenol is sourced from PubChem (CID 54003664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).